1-(2-Methyl-5-nitrophenyl)ethanone supplier

Name
1-(2-METHYL-5-NITRO-PHENYL)-ETHANONE
EINECS
CAS No. 58966-27-1
Density 1.201 g/cm³
Solubility
Melting Point 54-55 °C
Formula C₉H₉NO₃
Boiling Point 268.3 °C at 760 mmHg
Molecular Weight 179.17
Flash Point 116.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(2-METHYL-5-NITRO-PHENYL)-ETHANONE
PSA 62.89000
LogP 2.62900

1-(2-Methyl-5-nitrophenyl)ethanone Specification

The 1-(2-Methyl-5-nitrophenyl)ethanone, with the CAS registry number 58966-27-1, is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₉H₉NO₃.

The characteristics of 1-(2-Methyl-5-nitrophenyl)ethanone are as followings: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.95; (4)ACD/LogD (pH 7.4): 1.95; (5)ACD/BCF (pH 5.5): 17.87; (6)ACD/BCF (pH 7.4): 17.87; (7)ACD/KOC (pH 5.5): 274.06; (8)ACD/KOC (pH 7.4): 274.06; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.89 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 47.65 cm³; (15)Molar Volume: 149 cm³; (16)Polarizability: 18.89×10^-24cm³; (17)Surface Tension: 44.7 dyne/cm; (18)Density: 1.201 g/cm³; (19)Flash Point: 116.9 °C; (20)Enthalpy of Vaporization: 50.64 kJ/mol; (21)Boiling Point: 268.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00775 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(C)c1cc(ccc1C)N(=O)=O
(2)InChI: InChI=1/C9H9NO3/c1-6-3-4-8(10(12)13)5-9(6)7(2)11/h3-5H,1-2H3
(3)InChIKey: GOECEMHOAOBUEA-UHFFFAOYAZ

Product Name

1-(2-METHYL-5-NITRO-PHENYL)-ETHANONE

1-(2-Methyl-5-nitrophenyl)ethanone Specification

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